Ligand

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Ligand Name:   [[4-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]carbonylamino]azanium
HET ID:   BWT PubChem:   137332072
DrugBank:   - ChEMBL:   -
Canonical SMILES:   [NH3+]NC(=O)c1ccc(cc1)c1nn[nH]n1
Standard InChI:   InChI=1S/C8H8N6O/c9-10-8(15)6-3-1-5(2-4-6)7-11-13-14-12-7/h1-4H,9H2,(H,10,15)(H,11,12,13,14)/p+1
Molecular Formula:   C8H9N6O+ Mol. Weight:   205.19666 Heavy Atoms:   15
Charge:   1 Is Chiral:   False logP:   -0.8557
HBD:   3 HBA:   5 TPSA:   111.2
#Bonds:   20 #Rotatable Bonds:   3 Shape Complexity:   0.0
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Lysine-specific demethylase 4D Q6B0I6 (KDM4D_HUMAN) Homo sapiens 6ETG
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